N-benzyl-3-methoxypropanamide

C11H15NO2 — CID 59651317

IUPACN-benzyl-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-14-8-7-11(13)12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyOPFSBRVIYQSWJL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds5

About N-benzyl-3-methoxypropanamide

N-benzyl-3-methoxypropanamide (PubChem CID 59651317) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-benzyl-3-methoxypropanamide.

Molecular Properties

Compound NameN-benzyl-3-methoxypropanamide
PubChem CID59651317
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-benzyl-3-methoxypropanamide
SMILESCOCCC(=O)NCc1ccccc1
InChIInChI=1S/C11H15NO2/c1-14-8-7-11(13)12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13)
InChIKeyOPFSBRVIYQSWJL-UHFFFAOYSA-N
XLogP1.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxypropanamide?
The IUPAC name of N-benzyl-3-methoxypropanamide (CID 59651317) is N-benzyl-3-methoxypropanamide.
What is the SMILES notation for N-benzyl-3-methoxypropanamide?
The canonical SMILES for N-benzyl-3-methoxypropanamide is COCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methoxypropanamide?
The InChIKey is OPFSBRVIYQSWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-8-7-11(13)12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,12,13).
What are the key properties of N-benzyl-3-methoxypropanamide?
N-benzyl-3-methoxypropanamide has a molecular weight of 193.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxypropanamide is sourced from PubChem (CID 59651317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).